Compound Identification
SMILES
COC1=C(O)C=CC(=C1)[C@H]1OC2=C(OC)C=C3C=CC(=O)OC3=C2O[C@@H]1COC(=O)\C=C\C1=CC=C(O)C=C1
InChIKey
InChIKey=NJRCZZBEKGHAHH-JMGYAOOXSA-N
Formula
C29H24O10
Mass
532.501
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lignans, neolignans and related compounds
- Class Coumarinolignans
-
Superclass
Lignans, neolignans and related compounds
Kingdom
Organic compounds
Superclass
Lignans, neolignans and related compounds
Class
Coumarinolignans
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Coumarinolignans
Alternative Parents
Phenylbenzo-1,4-dioxanes p-Dioxolo[2,3-h]coumarins Coumaric acid esters Cinnamic acid esters Coumaric acids and derivatives Benzo-1,4-dioxanes 1-benzopyrans Methoxyphenols Styrenes Phenoxy compounds Anisoles Methoxybenzenes Pyranones and derivatives Fatty acid esters 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Para dioxins Heteroaromatic compounds Enoate esters Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Angular-fused coumarolignan skeleton - 2-phenylbenzo-1,4-dioxane - Phenylbenzodioxane - P-dioxolo[2,3-h]coumarin - Coumaric acid ester - Cinnamic acid or derivatives - Coumaric acid or derivatives - Hydroxycinnamic acid or derivatives - Cinnamic acid ester - Coumarin - Benzo-1,4-dioxane - Benzodioxane - Benzopyran - Methoxyphenol - 1-benzopyran - Anisole - Phenoxy compound - Methoxybenzene - Phenol ether - Styrene - Phenol - Alkyl aryl ether - Fatty acid ester - Pyranone - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - Para-dioxin - Pyran - Fatty acyl - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Heteroaromatic compound - Lactone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Ether - Oxacycle - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as coumarinolignans. These are lignans with a structure characterized by the presence of a 1,4-dioxane bridge substituted by a phenyl group, and fused to a coumarin.
External Descriptors
Not available